2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide

C13H16Cl2N4 — CID 164869294

IUPAC2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide
SMILES[H]/N=C(/CC1(c2cc(Cl)nc(Cl)c2)CCC1)N(C)/C=N/[H]
InChIInChI=1S/C13H16Cl2N4/c1-19(8-16)12(17)7-13(3-2-4-13)9-5-10(14)18-11(15)6-9/h5-6,8,16-17H,2-4,7H2,1H3/b16-8+,17-12-
InChIKeyLYILVNMORPBJOJ-YRZFIJTASA-N
MW299.20 g/mol
LogP3.72
Rot. Bonds4

About 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide

2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide (PubChem CID 164869294) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide.

Molecular Properties

Compound Name2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide
PubChem CID164869294
Molecular FormulaC13H16Cl2N4
Molecular Weight299.20 g/mol
Exact Mass298.08
IUPAC Name2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide
SMILES[H]/N=C(/CC1(c2cc(Cl)nc(Cl)c2)CCC1)N(C)/C=N/[H]
InChIInChI=1S/C13H16Cl2N4/c1-19(8-16)12(17)7-13(3-2-4-13)9-5-10(14)18-11(15)6-9/h5-6,8,16-17H,2-4,7H2,1H3/b16-8+,17-12-
InChIKeyLYILVNMORPBJOJ-YRZFIJTASA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2,6-dichloro-4-pyridinyl)-3-fluorocyclobutyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 171854168
3-(beta-Dimethylaminoethyl)-2,6-dichloro-4-methylpyridine
CID 129870452
1-[1-(2,6-Dichloropyridin-4-yl)-3,3-difluorocyclobutyl]methanamine
CID 165710398
[1-(2,6-Dichloro-4-methylpyridin-3-yl)-3,3-difluorocyclobutyl]methanamine
CID 165796885
N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide
CID 13009127
N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide
CID 13009128
2-(6-chloro-3-pyridinyl)-N-cyano-N-methylpropanimidamide
CID 22375075
N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide
CID 59991425
N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide
CID 59991426
N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide
CID 59991427
2-(6-chloro-3-pyridinyl)-N-cyano-N-methylethanimidamide
CID 87499490
6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine
CID 88970844

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide?
The IUPAC name of 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide (CID 164869294) is 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide.
What is the SMILES notation for 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide?
The canonical SMILES for 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide is [H]/N=C(/CC1(c2cc(Cl)nc(Cl)c2)CCC1)N(C)/C=N/[H].
What is the InChIKey of 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide?
The InChIKey is LYILVNMORPBJOJ-YRZFIJTASA-N. The full InChI is InChI=1S/C13H16Cl2N4/c1-19(8-16)12(17)7-13(3-2-4-13)9-5-10(14)18-11(15)6-9/h5-6,8,16-17H,2-4,7H2,1H3/b16-8+,17-12-.
What are the key properties of 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide?
2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide has a molecular weight of 299.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]-N-methanimidoyl-N-methylethanimidamide is sourced from PubChem (CID 164869294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).